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Synthesis, antiinflammatory evaluation and docking analysis of some novel 1,3,4-oxadiazole derivatives

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Title Synthesis, antiinflammatory evaluation and docking analysis of some novel 1,3,4-oxadiazole derivatives
 
Creator Khatale, Pravin N
Bhajipale, Nitin S
Thangavel, Sivakumar
Thangavelu, Prabha
Mahajan, N S
 
Subject 1,3,4-Oxadiazole
cyclooxygenase-2
anti-inflammatory
docking
MOE
 
Description 607-616
In the present study, novel series of 5-{[4-(acetylamino) phenoxy] methyl}-1,3,4-oxadiazole-2-yl-sulfanyl-N-substituted-2-acetamide/2-propanamide/3-propanamide derivatives (8a to 8c, 9a to 9c and 10a to 10c) have been synthesized.The newly synthesized compounds have been tested for their anti-inflammatory and anti-ulcerogenic activities in vivo.Among the present series the compound 8c is found to be most active against inflammation with inhibition of 65.34% andhas been observed to be safe ulcerogenically. It is observed that introduction of an asymmetric centre near the sulfur atomdecreases the activity. Molecular docking simulations have been carried out for the compounds. Structures from all theseries fit into the active site of cyclooxygenase-2 enzyme with least binding energies and exhibit favorable bindinginteractions required for the selective inhibition of cyclooxygenase- 2.
 
Date 2022-07-05T10:53:48Z
2022-07-05T10:53:48Z
2022-06
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/60034
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJC Vol.61(06) [June 2022]